L-Cystine, hydrochloride (1:?)

C₆H₁₃ClN₂O₄S₂CAS 34760-60-6276.75 g/mol

Open in Covalent MOL file

Carboxylic acid Disulfide Primary amine

Properties

Molecular formula: C₆H₁₃ClN₂O₄S₂
Molar mass: 276.75 g/mol
Exact mass: 276.0005 Da
Density: 1.52 g/mL
logP: -0.39Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

34760-60-6

SMILES

Cl.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O

InChIKey

IOCJWNPYGRVHLN-MMALYQPHSA-N

InChI

InChI=1S/C6H12N2O4S2.ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);1H/t3-,4-;/m0./s1

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Names and synonyms

1 names

L-Cystine, hydrochloride

Work with L-Cystine, hydrochloride (1:?)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cystine dihydrochloride30925-07-6100 % similar D-Cystine349-46-288 % similar Cystine923-32-088 % similar Dl-lanthionine3183-08-267 % similar S-Methylcysteine1187-84-466 % similar S-tert-Butyl-L-cysteine hydrochloride2481-09-664 % similar Djenkolic acid498-59-962 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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